[6-[(dimethylamino)methyl]-3-pyridinyl]-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone

C16H18F3N5O — CID 154842899

IUPAC[6-[(dimethylamino)methyl]-3-pyridinyl]-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
SMILESCN(C)Cc1ccc(C(=O)N2CCc3[nH]nc(C(F)(F)F)c3C2)cn1
InChIInChI=1S/C16H18F3N5O/c1-23(2)8-11-4-3-10(7-20-11)15(25)24-6-5-13-12(9-24)14(22-21-13)16(17,18)19/h3-4,7H,5-6,8-9H2,1-2H3,(H,21,22)
InChIKeyJRZJSIBQADQLQZ-UHFFFAOYSA-N
MW353.35 g/mol
LogP2.08
Rot. Bonds3

About [6-[(dimethylamino)methyl]-3-pyridinyl]-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone

[6-[(dimethylamino)methyl]-3-pyridinyl]-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone (PubChem CID 154842899) has the molecular formula C16H18F3N5O and a molecular weight of 353.35 g/mol. Its IUPAC name is [6-[(dimethylamino)methyl]-3-pyridinyl]-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name[6-[(dimethylamino)methyl]-3-pyridinyl]-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
PubChem CID154842899
Molecular FormulaC16H18F3N5O
Molecular Weight353.35 g/mol
Exact Mass353.15
IUPAC Name[6-[(dimethylamino)methyl]-3-pyridinyl]-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
SMILESCN(C)Cc1ccc(C(=O)N2CCc3[nH]nc(C(F)(F)F)c3C2)cn1
InChIInChI=1S/C16H18F3N5O/c1-23(2)8-11-4-3-10(7-20-11)15(25)24-6-5-13-12(9-24)14(22-21-13)16(17,18)19/h3-4,7H,5-6,8-9H2,1-2H3,(H,21,22)
InChIKeyJRZJSIBQADQLQZ-UHFFFAOYSA-N
XLogP2.08
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-chlorofuran-2-yl)-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
CID 154833056
2-(oxolan-2-ylmethyl)-5-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]isoindole-1,3-dione
CID 154833059
5-(4-fluorobenzoyl)-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 91914416
(2-pyridin-4-yl-1,3-thiazol-4-yl)-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
CID 167823456
1-(3-methyl-1-benzothiophen-2-yl)-2-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethane-1,2-dione
CID 154836753
(2-ethylpyrimidin-5-yl)-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone
CID 72869094
(6-methoxy-3-pyridinyl)-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone
CID 53185464
(2S)-2-(3,5-dimethylpyrazol-1-yl)-1-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propan-1-one
CID 95621267
5-methyl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride
CID 91926999
5-benzoyl-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 110875657
[3-fluoro-4-(hydroxymethyl)phenyl]-[3-[3-(trifluoromethyl)phenyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
CID 172896060
azetidin-1-yl-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-5-yl]methanone
CID 166231920

Frequently Asked Questions

What is the IUPAC name of [6-[(dimethylamino)methyl]-3-pyridinyl]-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone?
The IUPAC name of [6-[(dimethylamino)methyl]-3-pyridinyl]-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone (CID 154842899) is [6-[(dimethylamino)methyl]-3-pyridinyl]-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone.
What is the SMILES notation for [6-[(dimethylamino)methyl]-3-pyridinyl]-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone?
The canonical SMILES for [6-[(dimethylamino)methyl]-3-pyridinyl]-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone is CN(C)Cc1ccc(C(=O)N2CCc3[nH]nc(C(F)(F)F)c3C2)cn1.
What is the InChIKey of [6-[(dimethylamino)methyl]-3-pyridinyl]-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone?
The InChIKey is JRZJSIBQADQLQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N5O/c1-23(2)8-11-4-3-10(7-20-11)15(25)24-6-5-13-12(9-24)14(22-21-13)16(17,18)19/h3-4,7H,5-6,8-9H2,1-2H3,(H,21,22).
What are the key properties of [6-[(dimethylamino)methyl]-3-pyridinyl]-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone?
[6-[(dimethylamino)methyl]-3-pyridinyl]-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone has a molecular weight of 353.35 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(dimethylamino)methyl]-3-pyridinyl]-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone is sourced from PubChem (CID 154842899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).